[Wannier] Wannier functions outside the unit cell in xcrysden

[Vahid Askarpour]

Dear Wannier Users,

Running Wannier through Abinit, I obtained the following spreads and Im/Re Ratios (which I think are not bad) but when I visualize the functions by xcrysden, the functions lie outside the unit cell. Is there a way to move the functions inside the unit cell to make it clear to which atom or molecule they belong? I have attached the wannier90.win file.

Thanks,

Vahid Askarpour
Physics Department,
Dalhousie University,
Halifax, Canada 


         Spreads (Ang^2)              Omega I         =      5.964899925
        ================       Omega D       =      0.002783830
                                               Omega OD     =      0.105160589
    Final Spread (Ang^2)             Omega Tota l  =      6.072844345

      Wannier Function Num:    1       Maximum Im/Re Ratio =    0.000107
      Wannier Function Num:    2       Maximum Im/Re Ratio =    0.000109
      Wannier Function Num:    3       Maximum Im/Re Ratio =    0.000133
      Wannier Function Num:    4       Maximum Im/Re Ratio =    0.000135
      Wannier Function Num:    5       Maximum Im/Re Ratio =    0.000139
      Wannier Function Num:    6       Maximum Im/Re Ratio =    0.000319
      Wannier Function Num:    7       Maximum Im/Re Ratio =    0.000177
      Wannier Function Num:    8       Maximum Im/Re Ratio =    0.000168


num_wann 8
dis_win_max 9.7
!dis_froz_max 3.44
num_iter 2000
dis_num_iter 2000
dis_conv_tol 1.0E-10
iprint 1
!plotting
wannier_plot =true
wannier_plot_format=xcrysden
wannier_plot_supercell=3
Begin Projections
random
f= 0.297708686741,  0.376360633394, 0.250000000003 : l=0
f= 0.636475415803, -0.062477958781, 0.750000000003 : l=0
f= 0.356596731395,  0.621736542697, 0.622053950761 : l=0
f= 6.8164940348E-01,  6.9549188476E-01,  2.5000000000E-01 : l=0
f= 3.9367221010E-01,  8.5692020515E-01,  2.5000000000E-01 : l=0
f= 8.3181156906E-01,  5.9119677769E-01,  7.5000000000E-01 : l=0
f= 4.4787085232E-01,  2.7206552633E-01,  7.5000000000E-01 : l=0
f=7.3584804570E-01,  1.1063720593E-01,  7.5000000000E-01 : l=0
End Projections